(3S,5S,9R,10S,13R,17R)-17-[(2R)-5-Dimethylaminopentan-2-Yl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[a]Phenanthren-15-One
[CAS 136320-61-1]

Identification

• Name: (3S,5S,9R,10S,13R,17R)-17-[(2R)-5-Dimethylaminopentan-2-Yl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[a]Phenanthren-15-One
• Synonyms: (3S,5S,9R,10S,13R,17R)-17-[(1R)-4-Dimethylamino-1-Methyl-Butyl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One; (3S,5S,9R,10S,13R,17R)-17-[(1R)-4-Dimethylamino-1-Methylbutyl]-3-Hydroxy-10,13-Dimethyl-1,2,3,4,5,6,7,9,11,12,16,17-Dodecahydrocyclopenta[A]Phenanthren-15-One; Chol-8(14)-En-15-One, 24-(Dimethylamino)-3-Hydroxy-, (3Beta,5Alpha)-
• Molecular Formula: C₂₆H₄₃NO₂
• Molecular Weight: 401.63
• CAS Registry Number: 136320-61-1
• SMILES: [C@@H]13[C@@]4([C@@H](CCC1=C2[C@@]([C@H](CC2=O)[C@@H](CCCN(C)C)C)(CC3)C)C[C@@H](O)CC4)C
• InChI: 1S/C26H43NO2/c1-17(7-6-14-27(4)5)22-16-23(29)24-20-9-8-18-15-19(28)10-12-25(18,2)21(20)11-13-26(22,24)3/h17-19,21-22,28H,6-16H2,1-5H3/t17-,18+,19+,21+,22-,25+,26-/m1/s1
• InChIKey: RLFSWAJQOKQDTD-XVTIOWNMSA-N

Properties

• Density: 1.065g/cm³ (Cal.)
• Boiling point: 517.365°C at 760 mmHg (Cal.)
• Flash point: 266.693°C (Cal.)